Information card for entry 7027712

Structure parameters

• Formula: C66 H64 Au Cl9 N4 O4 P4
• Calculated formula: C66 H58 Au Cl9 N4 O4 P4
• SMILES: [Au]12([P](Nc3ccc(cc3N[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[P](Nc1c(N[P]2(c2ccccc2)c2ccccc2)cc(cc1)C)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Gold complexes of 3,4-bis(diphenylphosphinoamino)toluene and 1,2-bis(diphenylphosphinoamino)benzene. A comparative study †
• Authors of publication: Bella, Pedro A.; Crespo, Olga; Fernández, Eduardo J.; Fischer, Axel K.; Jones, Peter G.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 4009
• a: 13.641 ± 0.004 Å
• b: 29.735 ± 0.008 Å
• c: 17.361 ± 0.006 Å
• α: 90°
• β: 98.26 ± 0.03°
• γ: 90°
• Cell volume: 6969 ± 4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections: 0.1945
• Weighted residual factors for significantly intense reflections: 0.1603
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No